3-ethoxy-1,2-difluoro-5-methyl-6-[4-(4-propylcyclohexyl)cyclohexyl]cyclohexa-1,3-diene

C24H38F2O — CID 145418883

IUPAC3-ethoxy-1,2-difluoro-5-methyl-6-[4-(4-propylcyclohexyl)cyclohexyl]cyclohexa-1,3-diene
SMILESCCCC1CCC(C2CCC(C3C(F)=C(F)C(OCC)=CC3C)CC2)CC1
InChIInChI=1S/C24H38F2O/c1-4-6-17-7-9-18(10-8-17)19-11-13-20(14-12-19)22-16(3)15-21(27-5-2)23(25)24(22)26/h15-20,22H,4-14H2,1-3H3
InChIKeyUQAJSHJOCARCBO-UHFFFAOYSA-N
MW380.56 g/mol
LogP7.74
Rot. Bonds6

About 3-ethoxy-1,2-difluoro-5-methyl-6-[4-(4-propylcyclohexyl)cyclohexyl]cyclohexa-1,3-diene

3-ethoxy-1,2-difluoro-5-methyl-6-[4-(4-propylcyclohexyl)cyclohexyl]cyclohexa-1,3-diene (PubChem CID 145418883) has the molecular formula C24H38F2O and a molecular weight of 380.56 g/mol. Its IUPAC name is 3-ethoxy-1,2-difluoro-5-methyl-6-[4-(4-propylcyclohexyl)cyclohexyl]cyclohexa-1,3-diene.

Molecular Properties

Compound Name3-ethoxy-1,2-difluoro-5-methyl-6-[4-(4-propylcyclohexyl)cyclohexyl]cyclohexa-1,3-diene
PubChem CID145418883
Molecular FormulaC24H38F2O
Molecular Weight380.56 g/mol
Exact Mass380.29
IUPAC Name3-ethoxy-1,2-difluoro-5-methyl-6-[4-(4-propylcyclohexyl)cyclohexyl]cyclohexa-1,3-diene
SMILESCCCC1CCC(C2CCC(C3C(F)=C(F)C(OCC)=CC3C)CC2)CC1
InChIInChI=1S/C24H38F2O/c1-4-6-17-7-9-18(10-8-17)19-11-13-20(14-12-19)22-16(3)15-21(27-5-2)23(25)24(22)26/h15-20,22H,4-14H2,1-3H3
InChIKeyUQAJSHJOCARCBO-UHFFFAOYSA-N
XLogP7.74
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.56
LogP ≤ 57.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-[difluoro-[4-(4-propylcyclohexyl)cyclohexyl]methoxy]-4-ethoxy-2,3-difluorobenzene
CID 18352363
1-methyl-4-(4-propylcyclohexyl)cyclohexane
CID 543958
1-ethoxy-2,3-difluoro-4-[4-[4-[(E)-2-(4-propylcyclohexyl)ethenyl]cyclohexyl]cyclohexyl]benzene
CID 154607351
6-ethoxy-1,2-difluoro-3-[4-(4-propylcyclohexyl)cyclohexyl]cyclohexa-1,3-diene
CID 135127678
1,2-bis(fluoromethoxy)-3-[4-(4-propylcyclohexyl)cyclohexyl]benzene
CID 139930962
1-ethoxy-2,3-difluoro-4-[[4-[4-(4-propylcyclohexyl)cyclohexyl]cyclohexyl]oxymethyl]benzene
CID 154607415
2-[4-[(4-ethoxy-2,3-difluorophenoxy)methyl]cyclohexyl]-6-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 67954958
1-ethoxy-2,3-difluoro-4-[(E)-3-[4-(4-propylcyclohexyl)cyclohexyl]prop-2-enoxy]benzene
CID 20816615
2-(4-propylcyclohexyl)-6-(trifluoromethoxy)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 22352805
1-[4-(2-fluoroethyl)cyclohexyl]-4-(4-propylcyclohexyl)cyclohexane
CID 18344057
1-(2-fluoroethyl)-4-(4-propylcyclohexyl)cyclohexane
CID 18344046
2,3-difluoro-1-prop-2-enoxy-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene
CID 134358467

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-1,2-difluoro-5-methyl-6-[4-(4-propylcyclohexyl)cyclohexyl]cyclohexa-1,3-diene?
The IUPAC name of 3-ethoxy-1,2-difluoro-5-methyl-6-[4-(4-propylcyclohexyl)cyclohexyl]cyclohexa-1,3-diene (CID 145418883) is 3-ethoxy-1,2-difluoro-5-methyl-6-[4-(4-propylcyclohexyl)cyclohexyl]cyclohexa-1,3-diene.
What is the SMILES notation for 3-ethoxy-1,2-difluoro-5-methyl-6-[4-(4-propylcyclohexyl)cyclohexyl]cyclohexa-1,3-diene?
The canonical SMILES for 3-ethoxy-1,2-difluoro-5-methyl-6-[4-(4-propylcyclohexyl)cyclohexyl]cyclohexa-1,3-diene is CCCC1CCC(C2CCC(C3C(F)=C(F)C(OCC)=CC3C)CC2)CC1.
What is the InChIKey of 3-ethoxy-1,2-difluoro-5-methyl-6-[4-(4-propylcyclohexyl)cyclohexyl]cyclohexa-1,3-diene?
The InChIKey is UQAJSHJOCARCBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H38F2O/c1-4-6-17-7-9-18(10-8-17)19-11-13-20(14-12-19)22-16(3)15-21(27-5-2)23(25)24(22)26/h15-20,22H,4-14H2,1-3H3.
What are the key properties of 3-ethoxy-1,2-difluoro-5-methyl-6-[4-(4-propylcyclohexyl)cyclohexyl]cyclohexa-1,3-diene?
3-ethoxy-1,2-difluoro-5-methyl-6-[4-(4-propylcyclohexyl)cyclohexyl]cyclohexa-1,3-diene has a molecular weight of 380.56 g/mol, XLogP of 7.74, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-1,2-difluoro-5-methyl-6-[4-(4-propylcyclohexyl)cyclohexyl]cyclohexa-1,3-diene is sourced from PubChem (CID 145418883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).